2-[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenoxy]-N-methylacetamide

C20H21NO4 — CID 8830404

IUPAC2-[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenoxy]-N-methylacetamide
SMILESCCOc1ccccc1/C=C/C(=O)c1ccc(OCC(=O)NC)cc1
InChIInChI=1S/C20H21NO4/c1-3-24-19-7-5-4-6-16(19)10-13-18(22)15-8-11-17(12-9-15)25-14-20(23)21-2/h4-13H,3,14H2,1-2H3,(H,21,23)/b13-10+
InChIKeyACIOPEPHPNCGIL-JLHYYAGUSA-N
MW339.39 g/mol
LogP3.11
Rot. Bonds8

About 2-[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenoxy]-N-methylacetamide

2-[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenoxy]-N-methylacetamide (PubChem CID 8830404) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenoxy]-N-methylacetamide
PubChem CID8830404
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2-[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenoxy]-N-methylacetamide
SMILESCCOc1ccccc1/C=C/C(=O)c1ccc(OCC(=O)NC)cc1
InChIInChI=1S/C20H21NO4/c1-3-24-19-7-5-4-6-16(19)10-13-18(22)15-8-11-17(12-9-15)25-14-20(23)21-2/h4-13H,3,14H2,1-2H3,(H,21,23)/b13-10+
InChIKeyACIOPEPHPNCGIL-JLHYYAGUSA-N
XLogP3.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 78787127
(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369360
N-methyl-2-[4-[(E)-3-(2-nitrophenyl)prop-2-enoyl]phenoxy]acetamide
CID 8830373
2-[4-[(E)-3-[2-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]phenoxy]acetate
CID 9447772
ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate
CID 141232127
N,N-diethyl-2-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenoxy]acetamide
CID 6216700
[2-(methylcarbamoylamino)-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850660
1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 2880362
2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]-N-methylacetamide
CID 8830407
(4-acetylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 8764069
methyl 2-[4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenoxy]acetate
CID 60601226
2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 155554622

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenoxy]-N-methylacetamide (CID 8830404) is 2-[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenoxy]-N-methylacetamide is CCOc1ccccc1/C=C/C(=O)c1ccc(OCC(=O)NC)cc1.
What is the InChIKey of 2-[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenoxy]-N-methylacetamide?
The InChIKey is ACIOPEPHPNCGIL-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H21NO4/c1-3-24-19-7-5-4-6-16(19)10-13-18(22)15-8-11-17(12-9-15)25-14-20(23)21-2/h4-13H,3,14H2,1-2H3,(H,21,23)/b13-10+.
What are the key properties of 2-[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenoxy]-N-methylacetamide?
2-[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenoxy]-N-methylacetamide has a molecular weight of 339.39 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 8830404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).